5,7-dimethoxy-3-pyridin-4-ylquinoline

C16H14N2O2 — CID 3139

IUPAC5,7-dimethoxy-3-pyridin-4-ylquinoline
SMILESCOc1cc(OC)c2cc(-c3ccncc3)cnc2c1
InChIInChI=1S/C16H14N2O2/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11/h3-10H,1-2H3
InChIKeyHBXDLZBPKJEWHZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.31
Rot. Bonds3

About 5,7-dimethoxy-3-pyridin-4-ylquinoline

5,7-dimethoxy-3-pyridin-4-ylquinoline (PubChem CID 3139) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5,7-dimethoxy-3-pyridin-4-ylquinoline.

Molecular Properties

Compound Name5,7-dimethoxy-3-pyridin-4-ylquinoline
PubChem CID3139
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5,7-dimethoxy-3-pyridin-4-ylquinoline
SMILESCOc1cc(OC)c2cc(-c3ccncc3)cnc2c1
InChIInChI=1S/C16H14N2O2/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11/h3-10H,1-2H3
InChIKeyHBXDLZBPKJEWHZ-UHFFFAOYSA-N
XLogP3.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-pyridin-4-ylquinoline?
The IUPAC name of 5,7-dimethoxy-3-pyridin-4-ylquinoline (CID 3139) is 5,7-dimethoxy-3-pyridin-4-ylquinoline.
What is the SMILES notation for 5,7-dimethoxy-3-pyridin-4-ylquinoline?
The canonical SMILES for 5,7-dimethoxy-3-pyridin-4-ylquinoline is COc1cc(OC)c2cc(-c3ccncc3)cnc2c1.
What is the InChIKey of 5,7-dimethoxy-3-pyridin-4-ylquinoline?
The InChIKey is HBXDLZBPKJEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11/h3-10H,1-2H3.
What are the key properties of 5,7-dimethoxy-3-pyridin-4-ylquinoline?
5,7-dimethoxy-3-pyridin-4-ylquinoline has a molecular weight of 266.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-pyridin-4-ylquinoline is sourced from PubChem (CID 3139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).